1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone

C18H21F4NO3 — CID 95728913

IUPAC1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone
SMILESO=C(COCC(F)(F)C(F)F)N1CCC2(CC1)c1ccccc1C[C@@H]2O
InChIInChI=1S/C18H21F4NO3/c19-16(20)18(21,22)11-26-10-15(25)23-7-5-17(6-8-23)13-4-2-1-3-12(13)9-14(17)24/h1-4,14,16,24H,5-11H2/t14-/m0/s1
InChIKeyHTFVCAIPWNPFCY-AWEZNQCLSA-N
MW375.36 g/mol
LogP2.38
Rot. Bonds5

About 1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone

1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone (PubChem CID 95728913) has the molecular formula C18H21F4NO3 and a molecular weight of 375.36 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone
PubChem CID95728913
Molecular FormulaC18H21F4NO3
Molecular Weight375.36 g/mol
Exact Mass375.15
IUPAC Name1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone
SMILESO=C(COCC(F)(F)C(F)F)N1CCC2(CC1)c1ccccc1C[C@@H]2O
InChIInChI=1S/C18H21F4NO3/c19-16(20)18(21,22)11-26-10-15(25)23-7-5-17(6-8-23)13-4-2-1-3-12(13)9-14(17)24/h1-4,14,16,24H,5-11H2/t14-/m0/s1
InChIKeyHTFVCAIPWNPFCY-AWEZNQCLSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-Ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
CID 118738956
1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-phenylmethoxyethanone
CID 95721819
(9H-fluoren-9-yl)methyl 3,3-difluoro-5-hydroxypiperidine-1-carboxylate
CID 164874331
3,3,3-trifluoro-1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one
CID 30897670
1'-[(2,2,3,3-Tetrafluoropropoxy)acetyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 56915741
1-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 95728914
1-[(1S)-5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-methoxyethanone
CID 97504281
1-[(1R)-5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-methoxyethanone
CID 97504282
2-(2-Phenylethoxy)-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone
CID 112329187
1-(5-Fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
CID 131645977
(2-Hydroxy-1,3-dihydroinden-2-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
CID 139008581
(9H-fluoren-9-yl)methyl 4,4-difluoro-3-hydroxypiperidine-1-carboxylate
CID 165986536

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The IUPAC name of 1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone (CID 95728913) is 1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone.
What is the SMILES notation for 1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The canonical SMILES for 1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone is O=C(COCC(F)(F)C(F)F)N1CCC2(CC1)c1ccccc1C[C@@H]2O.
What is the InChIKey of 1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The InChIKey is HTFVCAIPWNPFCY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21F4NO3/c19-16(20)18(21,22)11-26-10-15(25)23-7-5-17(6-8-23)13-4-2-1-3-12(13)9-14(17)24/h1-4,14,16,24H,5-11H2/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone has a molecular weight of 375.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone is sourced from PubChem (CID 95728913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).